SCHEMBL818489

SCHEMBL818489

CC(=O)OC1CCNC1Cc1c[nH]c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
GPR84 Q9NQS5 1/20 0.44
MAP2K1 Q02750 1/20 0.42
MET P08581 1/20 0.40
DRD4 P21917 9/20 0.39
DRD3 P35462 8/20 0.39
FGFR1 P11362 1/20 0.39
FGFR4 P22455 1/20 0.39
DRD2 P14416 7/20 0.38
BCHE P06276 1/20 0.38
SLC6A4 P31645 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
NTRK1 P04629 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL820684 1.00 MTNR1A (0.48) MTNR1AGPR84MAP2K1METDRD4
SCHEMBL823067 0.82 HTR6 (0.49) SLC6A4HTR6
SCHEMBL818239 0.82 HTR6 (0.49) SLC6A4HTR6
SCHEMBL823074 0.79 MAP2K1 (0.44) MTNR1AMAP2K1SLC6A4
SCHEMBL820494 0.77 MTNR1A (0.48) MTNR1AGPR84MAP2K1METDRD4
SCHEMBL819919 0.77 MTNR1A (0.48) MTNR1AGPR84MAP2K1METDRD4
SCHEMBL820693 0.74 GPR84 (0.44) MTNR1AGPR84SLC6A4HTR1AHTR2A
SCHEMBL819272 0.74 MTNR1A (0.44) MTNR1AGPR84MAP2K1DRD4DRD3
SCHEMBL823088 0.74 MTNR1A (0.44) MTNR1AGPR84MAP2K1DRD4DRD3
SCHEMBL820264 0.73 MTNR1A (0.41) MTNR1AGPR84MAP2K1METDRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 MTNR1A 4534/4885GPR84 3290/4885MAP2K1 3375/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.